| Properties | Image |
|---|
| MNX_ID | MNXM128759 |
 |
| reference | hmdb:HMDB0030510 |
| formula | C54H92O25 |
| global charge | 0 |
| mol weight | 1141.305 |
| InChIKey | GDMBPUARLSVEAE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O25/c1-22(2)25(79-70)10-16-54(8,78-48-44(69)40(65)37(62)29(75-48)21-71-46-42(67)38(63)34(59)26(18-55)72-46)23-9-14-53(7)33(23)24(58)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(66)36(61)28(20-57)74-49)77-47-43(68)39(64)35(60)27(19-56)73-47/h23-49,55-70H,1,9-21H2,2-8H3 |
| SMILES | C=C(C)C(CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)OO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O25/c1-22(2)25(79-70)10-16-54(8,78-48-44(69)40(65)37(62)29(75-48)21-71-46-42(67)38(63)34(59)26(18-55)72-46)23-9-14-53(7)33(23)24(58)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(66)36(61)28(20-57)74-49)77-47-43(68)39(64)35(60)27(19-56)73-47/h23-49,55-70H,1,9-21H2,2-8H3/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH2:1]=[C:22]([CH3:2])[CH:25]([CH2:10][CH2:16][C:54]([CH3:8])([CH:23]1[CH2:9][CH2:14][C:53]2([CH3:7])[CH:33]1[CH:24]([OH:58])[CH2:17][CH:31]1[C:51]3([CH3:5])[CH2:13][CH2:12][CH:32]([O:76][CH:49]4[CH:45]([O:77][CH:47]5[CH:43]([OH:68])[CH:39]([OH:64])[CH:35]([OH:60])[CH:27]([CH2:19][OH:56])[O:73]5)[CH:41]([OH:66])[CH:36]([OH:61])[CH:28]([CH2:20][OH:57])[O:74]4)[C:50]([CH3:3])([CH3:4])[CH:30]3[CH2:11][CH2:15][C:52]12[CH3:6])[O:78][CH:48]1[CH:44]([OH:69])[CH:40]([OH:65])[CH:37]([OH:62])[CH:29]([CH2:21][O:71][CH:46]2[CH:42]([OH:67])[CH:38]([OH:63])[CH:34]([OH:59])[CH:26]([CH2:18][OH:55])[O:72]2)[O:75]1)[O:79][OH:70] |
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